Z-360   

GtoPdb Ligand ID: 907

Synonyms: Z 360 | Z360
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 119.05
Molecular weight 520.27
XLogP 4.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(NC1CN(C2CCCCC2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2)Nc1cccc(c1)C(=O)O
Isomeric SMILES O=C(N[C@@H]1CN(C2CCCCC2)c2c(N(C1=O)CC(=O)C(C)(C)C)cccc2)Nc1cccc(c1)C(=O)O
InChI InChI=1S/C29H36N4O5/c1-29(2,3)25(34)18-33-24-15-8-7-14-23(24)32(21-12-5-4-6-13-21)17-22(26(33)35)31-28(38)30-20-11-9-10-19(16-20)27(36)37/h7-11,14-16,21-22H,4-6,12-13,17-18H2,1-3H3,(H,36,37)(H2,30,31,38)/t22-/m1/s1
InChI Key VIJCCFFEBCOOIE-JOCHJYFZSA-N
Classification
Compound class Synthetic organic
IUPAC Name
3-[[(3R)-1-cyclohexyl-5-(3,3-dimethyl-2-oxobutyl)-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid
Synonyms
Z 360 | Z360
Database Links
CAS Registry No. 209219-38-5 (source: Scifinder)
GtoPdb PubChem SID 135651352
PubChem CID 9872609
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